(1R,6S)-3,4-dimethyl-6-(4-phenylpiperazin-1-yl)carbonyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-3,4-dimethyl-6-(4-phenylpiperazin-1-yl)carbonyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-3,4-dimethyl-6-(4-phenylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-3,4-dimethyl-6-[oxo-(4-phenyl-1-piperazinyl)methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-3,4-dimethyl-6-(4-phenylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-3,4-dimethyl-6-(4-phenylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C20H26N2O3/c1-14-12-17(18(20(24)25)13-15(14)2)19(23)22-10-8-21(9-11-22)16-6-4-3-5-7-16/h3-7,17-18H,8-13H2,1-2H3,(H,24,25)/t17-,18+/m0/s1